4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid

C13H14N2O4S — CID 119172991

IUPAC4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cnc(-c2ccco2)s1
InChIInChI=1S/C13H14N2O4S/c1-15(6-2-5-11(16)17)13(18)10-8-14-12(20-10)9-4-3-7-19-9/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)
InChIKeyHUVJBQRVJGVDQI-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.34
Rot. Bonds6

About 4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid

4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid (PubChem CID 119172991) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid
PubChem CID119172991
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cnc(-c2ccco2)s1
InChIInChI=1S/C13H14N2O4S/c1-15(6-2-5-11(16)17)13(18)10-8-14-12(20-10)9-4-3-7-19-9/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)
InChIKeyHUVJBQRVJGVDQI-UHFFFAOYSA-N
XLogP2.34
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119172820
6-[2-[dideuterio-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-propan-2-ylamino]methyl]phenoxy]hexanoic acid
CID 121270670
4-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]-methylamino]butanoic acid
CID 119346844
2-(furan-2-yl)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 126787581
2-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid
CID 119187621
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
CID 120656276
2-(furan-2-yl)-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 119446974
2-(furan-2-yl)-N-(5-hydroxypentyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 107202197
4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]butanoic acid
CID 55005935
4-[methyl-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119137189
2-(furan-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 86888875
4-[methyl(1,3-oxazole-5-carbonyl)amino]butanoic acid
CID 110835484

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid (CID 119172991) is 4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)c1cnc(-c2ccco2)s1.
What is the InChIKey of 4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid?
The InChIKey is HUVJBQRVJGVDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-15(6-2-5-11(16)17)13(18)10-8-14-12(20-10)9-4-3-7-19-9/h3-4,7-8H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid?
4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid has a molecular weight of 294.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-methylamino]butanoic acid is sourced from PubChem (CID 119172991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).